N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide

HCID 763578

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Basic information

CAS: 840-05-1
Standard SMILES: CC(=O)Nc1cc2cccc([N+](=O)[O-])c2oc1=O
InChIKey: WMOWPQGUZSANTO-UHFFFAOYSA-N
Molecular formula: C11H8N2O5
Average molar mass: 248.19 g/mol
Monoisotopic mass: 248.04332136

Names & identifiers

Preferred name: N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide
IUPAC: N-(8-nitro-2-oxochromen-3-yl)acetamide

Names & synonyms

840-05-1DTXSID50354101N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamideRefChem:362508DTXCID00305163N-(8-nitro-2-oxochromen-3-yl)acetamideN-(8-Nitro-2-oxo-2H-chromen-3-yl)acetamideAcetamide, N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)-3-acetamido-8-nitrocoumarinN-{8-nitro-2-oxo-2H-chromen-3-yl}acetamideOprea1_274488Oprea1_871531

Show more names

AKOS000668954ST51170245AG-690/40640016

Database identifiers

CAS: 840-05-1
PubChem CID: 763578
DTXSID: DTXSID50354101

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 426

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